Environmental pseudotargeted metabolomics: A high throughput and wide coverage method for metabolic profiling of 1000-year paddy soil chronosequences

Development and Application of Portable Reflectometric Spectroscopy Combined with Solid-Phase Extraction for Determination of Potassium in Flue-Cured Tobacco Leaves

“…To further improve K extraction recovery, a multivariate strategy based on response surface methodology with a three-factor, three-level Box–Behnken design (BBD) was further employed to optimize important water-bath heating conditions, such as liquid-to-material ratio/w/w (A), extraction temperature/°C (B), and extraction time/min (C). The BBD is a class of rotatable or nearly rotatable second-order response surface designs based on a three-level incomplete factorial design . An advantage of BBD over other response surface designs is that it is more efficient, does not have axial points, and may be experimentally more convenient and less expensive.…”

“…The BBD is a class of rotatable or nearly rotatable second-order response surface designs based on a three-level incomplete factorial design. 29 An advantage of BBD over other response surface designs is that it is more efficient, does not have axial points, and may be experimentally more convenient and less expensive. The BBD of coded variables and uncoded variables and the response factors of extraction recovery are presented in Table 1 .…”

Exploring Metabolic Characteristics in Different Geographical Locations and Yields of Nicotiana tabacum L. Using Gas Chromatography–Mass Spectrometry Pseudotargeted Metabolomics Combined with Chemometrics

“…To normalize the data, log transformation and Pareto scaling were performed. The screening of highly characteristic metabolites among the samples was conducted according to the standard of Cai et al [22]. Chromatograms of the QC samples were generated using Origin 2021 software version SR1 (OriginLab Corp., Northampton, MA, USA).…”

“…Although the precision met the requirements for relative quantification, it is recommended that an appropriate internal standard system with each chemical classification is needed to effectively improve the accuracy and precision. The isotopic or homologous internal standard is the best choice for further research [22]. Furthermore, pseudotargeted analysis cannot detect metabolites that have not been identified.…”

“…In 2012, Li et al first proposed the retention time-locking GC-SIM-MS pseudotargeted metabolomics method and applied it to characteristic metabolites in tobacco leaves from different geographical locations [21]. Cai et al utilized GC-MS pseudotargeted metabolomics to accurately analyse metabolites in Oryza sativa soil, and they demonstrated that this approach enhances the specificity, sample throughput, and coverage of the detected metabolites [22]. This method combines the benefits of both targeted and untargeted approaches, providing high sensitivity, precise quantification, and a broad linear range, and represents a promising technique that has been successfully employed for studying metabolic profiling across various tissue samples [23,24].…”